Embedding Methods for Quantum Chemistry: Applications from Materials to Life Sciences.
Sign Up to like & getrecommendations! Published in 2020 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.9b10780
Abstract: Quantum mechanical embedding methods hold the promise to transform not just the way calculations are performed, but to significantly reduce computational costs and improve scaling for macro molecular systems containing hundreds if not thousands of… read more here.
Keywords: life sciences; embedding methods; chemistry; materials life ... See more keywords
Toward perturbation theory methods on a quantum computer
Sign Up to like & getrecommendations! Published in 2022 at "Science Advances"
DOI: 10.1126/sciadv.adg4576
Abstract: Perturbation theory, used in a wide range of fields, is a powerful tool for approximate solutions to complex problems, starting from the exact solution of a related, simpler problem. Advances in quantum computing, especially over… read more here.
Keywords: perturbation theory; methods quantum; toward perturbation; theory methods ... See more keywords